Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor' and Ligand = 'BDBM50092046'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50092046 (3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-ethyl-3,4...) Show SMILES CCN1C(=O)C(Cc2ccccc12)N1CCN(Cc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C22H26ClN3O/c1-2-26-20-6-4-3-5-18(20)15-21(22(26)27)25-13-11-24(12-14-25)16-17-7-9-19(23)10-8-17/h3-10,21H,2,11-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor of rat brain homogenate				Bioorg Med Chem Lett 13: 701-4 (2003) BindingDB Entry DOI: 10.7270/Q2B56J44
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